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	hartrees
Energy at 0K	-1716.904890
Energy at 298.15K	-1716.905254
Nuclear repulsion energy	330.479918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	553	525	9.24
2	A	457	434	40.41
3	A	206	195	0.29
4	A	98	93	0.35
5	B	444	421	122.14
6	B	240	228	8.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.447	0.873	0.737
S2	-0.447	-0.873	0.737
Cl3	-0.447	2.093	-0.693
Cl4	0.447	-2.093	-0.693

	S1	S2	Cl3	Cl4
S1		1.9622	2.0815	3.2932
S2	1.9622		3.2932	2.0815
Cl3	2.0815	3.2932		4.2806
Cl4	3.2932	2.0815	4.2806

Number	Element	Mulliken
1	S	0.140
2	S	0.140
3	Cl	-0.140
4	Cl	-0.140

All results from a given calculation for ClSSCl (Disulfur dichloride)

using model chemistry: B1B95/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	1.157	1.157
CHELPG
AIM
ESP

	x	y	z
x	5.296	-0.683	0.000
y	-0.683	13.390	0.000
z	0.000	0.000	6.982

<r²>	252.194
(<r²>)^1/2	15.881